tert-butyl 4-thiophen-2-ylcarbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-thiophen-2-ylcarbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[oxo(thiophen-2-yl)methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-thenoyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC=CS2

InChI

InChI=1S/C15H22N2O3S/c1-15(2,3)20-14(19)17-8-5-7-16(9-10-17)13(18)12-6-4-11-21-12/h4,6,11H,5,7-10H2,1-3H3